N-(3,4-dimethoxyphenyl)-1H-indazole-6-carboxamide

C16H15N3O3 — CID 118709468

IUPACN-(3,4-dimethoxyphenyl)-1H-indazole-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3cn[nH]c3c2)cc1OC
InChIInChI=1S/C16H15N3O3/c1-21-14-6-5-12(8-15(14)22-2)18-16(20)10-3-4-11-9-17-19-13(11)7-10/h3-9H,1-2H3,(H,17,19)(H,18,20)
InChIKeyVUENXSBJZQUDSD-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.83
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)-1H-indazole-6-carboxamide

N-(3,4-dimethoxyphenyl)-1H-indazole-6-carboxamide (PubChem CID 118709468) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1H-indazole-6-carboxamide
PubChem CID118709468
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-(3,4-dimethoxyphenyl)-1H-indazole-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3cn[nH]c3c2)cc1OC
InChIInChI=1S/C16H15N3O3/c1-21-14-6-5-12(8-15(14)22-2)18-16(20)10-3-4-11-9-17-19-13(11)7-10/h3-9H,1-2H3,(H,17,19)(H,18,20)
InChIKeyVUENXSBJZQUDSD-UHFFFAOYSA-N
XLogP2.83
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1H-indazole-6-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1H-indazole-6-carboxamide (CID 118709468) is N-(3,4-dimethoxyphenyl)-1H-indazole-6-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1H-indazole-6-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1H-indazole-6-carboxamide is COc1ccc(NC(=O)c2ccc3cn[nH]c3c2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1H-indazole-6-carboxamide?
The InChIKey is VUENXSBJZQUDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-21-14-6-5-12(8-15(14)22-2)18-16(20)10-3-4-11-9-17-19-13(11)7-10/h3-9H,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-(3,4-dimethoxyphenyl)-1H-indazole-6-carboxamide?
N-(3,4-dimethoxyphenyl)-1H-indazole-6-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1H-indazole-6-carboxamide is sourced from PubChem (CID 118709468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).